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18200-13-0 | 1-Naphthalenamine, 5,6,7,8-tetrahydro-N-[2-(2H-tetrazol-5-yl)phenyl]-
CAS No: 18200-13-0 Catalog No: AG00239P MDL No:
Product Description
Catalog Number:
AG00239P
Chemical Name:
1-Naphthalenamine, 5,6,7,8-tetrahydro-N-[2-(2H-tetrazol-5-yl)phenyl]-
CAS Number:
18200-13-0
Molecular Formula:
C17H17N5
Molecular Weight:
291.3504
IUPAC Name:
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
InChI:
InChI=1S/C17H17N5/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-19-21-22-20-17/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20,21,22)
InChI Key:
YYNRZIFBTOUICE-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)c(ccc2)Nc1ccccc1c1n[nH]nn1
UNII:
5E7RR1J6TR
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.358g/mol
Monoisotopic Mass:
291.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| BL-1249 [(5,6,7,8-tetrahydro-naphthalen-1-yl)-[2-(1H-tetrazol-5-yl)-phenyl]-amine]: a putative potassium channel opener with bladder-relaxant properties. | The Journal of pharmacology and experimental therapeutics 20050401 |
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